Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50298404'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50298404 ((+/-)-N-(2-chloroethyl)-3-chloro-6,7,10,11-tetrahy...) Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCl |t:1,TLB:18:7:4:6.2.1,THB:0:1:4:9.8.7,10:8:4:6.2.1| Show InChI InChI=1S/C19H20Cl2N2/c1-11-6-12-8-13(7-11)18-17(9-12)23-16-10-14(21)2-3-15(16)19(18)22-5-4-20/h2-3,6,10,12-13H,4-5,7-9H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43.3	n/a	n/a	n/a	n/a	n/a	n/a
COBRA-CNRS UMR 6014& FR 3038 Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE in erythrocytes by Ellman's assay				Bioorg Med Chem 17: 4523-36 (2009) Article DOI: 10.1016/j.bmc.2009.05.005 BindingDB Entry DOI: 10.7270/Q2K938GQ
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